Y070-3781 Screening compound: 4-[4-(benzyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one

Y070-3781 Screening compound: 4-[4-(benzyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
Y070-3781 Screening compound: 4-[4-(benzyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3781
4-[4-(benzyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y070-3781

Molecular Formula

C28H29N3O4 (C28 H29 N3 O4)

Compound Name

4-[4-(benzyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-[4-(benzyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(pyridin-3-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

CN(C)CCCN(C(C(C(c(cc1)ccc1OCc1ccccc1)=O)=C1O)c2cnccc2)C1=O

InChI

InChI=1S/C28H29N3O4/c1-30(2)16-7-17-31-25(22-10-6-15-29-18-22)24(27(33)28(31)34)26(32)21-11-13-23(14-12-21)35-19-20-8-4-3-5-9-20/h3-6,8-15,18,25,33H,7,16-17,19H2,1-2H3/t25-/m0/s1

InChI Key

VEZUZRATIHZVNW-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04160941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

0.896

Water Solubility, LogSw

-2.91

Polar Surface Area

65.688

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y070-3781 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ACE2 Library (3043 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y070-3781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3781?
Check Price and Availability of Y070-3781, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y070-3781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3781
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y070-3781 available by request